7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one

C9H8F3NO — CID 101469713

IUPAC7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1cc(C(F)(F)F)cc2n1CCC2
InChIInChI=1S/C9H8F3NO/c10-9(11,12)6-4-7-2-1-3-13(7)8(14)5-6/h4-5H,1-3H2
InChIKeyWGYDFYWRVYPGHD-UHFFFAOYSA-N
MW203.16 g/mol
LogP1.81
Rot. Bonds

About 7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one

7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one (PubChem CID 101469713) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
PubChem CID101469713
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1cc(C(F)(F)F)cc2n1CCC2
InChIInChI=1S/C9H8F3NO/c10-9(11,12)6-4-7-2-1-3-13(7)8(14)5-6/h4-5H,1-3H2
InChIKeyWGYDFYWRVYPGHD-UHFFFAOYSA-N
XLogP1.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one (CID 101469713) is 7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one is O=c1cc(C(F)(F)F)cc2n1CCC2.
What is the InChIKey of 7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is WGYDFYWRVYPGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-9(11,12)6-4-7-2-1-3-13(7)8(14)5-6/h4-5H,1-3H2.
What are the key properties of 7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one?
7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 203.16 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 101469713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).